SCHEMBL6404099

SCHEMBL6404099

Cc1ccc(OCc2nnc(SCc3ccccc3Cl)n2-c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 7/20 0.65
ALDH1A1 P00352 5/20 0.65
MAPT P10636 3/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
HTT P42858 5/20 0.64
HPGD P15428 2/20 0.64
LMNA P02545 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
USP2 O75604 3/20 0.62
TSHR P16473 2/20 0.62
SIRT2 Q8IXJ6 1/20 0.61
VCP P55072 2/20 0.60
TP53 P04637 1/20 0.59
ALOX15 P16050 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6404280 0.92 SIRT2 (0.72) NPSR1ALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL6406624 0.78 TSHR (0.64) NPSR1ALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL16409978 0.77 SIRT2 (1.00) NPSR1ALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL6405241 0.75 L3MBTL1 (0.84) NPSR1ALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL6403317 0.73 PKM (1.00) NPSR1ALDH1A1MAPTL3MBTL1HTT
SCHEMBL6404082 0.73 RXRA (0.74) NPSR1ALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL6403187 0.73 VCP (0.86) NPSR1ALDH1A1MAPTHTTLMNA
SCHEMBL31160453 0.73 ALDH1A1 (0.52) NPSR1ALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL13483791 0.70 MAOB (0.64) NPSR1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL31160427 0.70 HPGD (0.51) NPSR1ALDH1A1MAPTL3MBTL1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT NPSR1 4536/4885ALDH1A1 720/4885MAPT 2111/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.